SCHEMBL5349461

SCHEMBL5349461

CC(C)(N)CCc1ccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
AKT1 P31749 10/20 0.37
AKT2 P31751 9/20 0.37
PTGS2 P35354 2/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
GRIA1 P42261 1/20 0.33
NR1I3 Q14994 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5349454 0.80 CNR1 (0.41) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL5337696 0.78 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL5322344 0.74 AKT1 (0.55) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL5318363 0.70 AKT1 (0.62) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL5348895 0.68 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL5263183 0.68 AKT1 (0.49) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL5324610 0.67 AKT1 (0.44) AKT1AKT2PTGS2CNR1KDM4E
SCHEMBL5263026 0.64 AKT1 (0.43) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL5263277 0.63 AKT1 (0.42) MAPK13MAPK12MAPK11MAPK14AKT1
SCHEMBL3408632 0.61 SLC6A2 (0.63) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO claimed
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed